1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; (1-ethoxy-1-oxidanylidene-octan-2-yl)-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; (1-ethoxy-1-oxidanylidene-octan-2-yl)-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; 1-ethoxycarbonylheptyl(dimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethylbenzene; (1-ethoxy-1-oxooctan-2-yl)-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethylbenzene; (1-ethoxy-1-oxooctan-2-yl)-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: 1-carbethoxyheptyl(dimethyl)ammonium; 1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; tosylate Formula: C43H59NO6S MolecularWeight: 717.99666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)[NH+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=CC(=C1)COCCC(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCC(C(=O)OCC)[NH+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=CC(=C1)COCCC(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H26O.C12H25NO2.C7H8O3S/c1-19-15-20(2)17-21(16-19)18-25-14-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23;1-5-7-8-9-10-11(13(3)4)12(14)15-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-12,15-17,24H,13-14,18H2,1-2H3;11H,5-10H2,1-4H3;2-5H,1H3,(H,8,9,10)